SCHEMBL9928407

SCHEMBL9928407

Cc1cc(C)nc(NC[C@@H]2CC[C@H](C)CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.35
VCP P55072 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SSTR4 P31391 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9899282 0.84 KMT2A (0.43) CYP3A4NPSR1LMNAKDM4EKMT2A
SCHEMBL9928404 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL9928400 0.78 HCRTR1 (0.39) CYP3A4CYP1A2POLBCYP2C19NPSR1
SCHEMBL934401 0.77 CYP3A4 (0.55) CYP3A4CYP1A2POLBCYP2C19SIRT2
SCHEMBL934400 0.77 CYP3A4 (0.55) CYP3A4CYP1A2POLBCYP2C19SIRT2
SCHEMBL2688278 0.77 CYP3A4 (0.50) CYP3A4SIRT2BCDIN3DPRMT5
SCHEMBL2688280 0.77 CYP3A4 (0.50) CYP3A4SIRT2BCDIN3DPRMT5
SCHEMBL9928403 0.76 HCRTR1 (0.41) GPR119SSTR4HCRTR1HCRTR2OPRK1
SCHEMBL15229936 0.76 HCRTR1 (0.44) CYP3A4BCDIN3DTRPV1HCRTR1
SCHEMBL8007405 0.75 HCRTR2 (0.60) POLBKMT2AGPR119HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR CYP3A4 2976/4885CYP1A2 2739/4885POLB 4552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.